ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate

C7H7F3N2O3 — CID 105481585

IUPACethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-2-14-6(13)4-3(7(8,9)10)5(11)15-12-4/h2,11H2,1H3
InChIKeyZCQPWLXIPUMJOH-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.45
Rot. Bonds2

About ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate

ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate (PubChem CID 105481585) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
PubChem CID105481585
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Nameethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-2-14-6(13)4-3(7(8,9)10)5(11)15-12-4/h2,11H2,1H3
InChIKeyZCQPWLXIPUMJOH-UHFFFAOYSA-N
XLogP1.45
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093
ethyl 4-bromo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
CID 66793071
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate (CID 105481585) is ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1C(F)(F)F.
What is the InChIKey of ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is ZCQPWLXIPUMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-2-14-6(13)4-3(7(8,9)10)5(11)15-12-4/h2,11H2,1H3.
What are the key properties of ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 224.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 105481585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).